5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C12H14F2O2 — CID 65456544

IUPAC5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCC(F)F)cccc21
InChIInChI=1S/C12H14F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,10,12,15H,1,4-5,7H2
InChIKeyXJFRMAJBJLEYND-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.70
Rot. Bonds3

About 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 65456544) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID65456544
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCC(F)F)cccc21
InChIInChI=1S/C12H14F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,10,12,15H,1,4-5,7H2
InChIKeyXJFRMAJBJLEYND-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 65456544) is 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCC(F)F)cccc21.
What is the InChIKey of 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is XJFRMAJBJLEYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-12(14)7-16-11-6-2-3-8-9(11)4-1-5-10(8)15/h2-3,6,10,12,15H,1,4-5,7H2.
What are the key properties of 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 228.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 65456544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).